Bioactive Compound Details

BioIDbio1494
NameCORONARIN C
ChEMBL IDCHEMBL1288154
Molecular FormulaC20H30O3
Molecular Weight318.46
Molecular Weight (Monoisotopic)318.2195
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsCoronarin C
SmilesC=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CCC1=CC(O)OC1=O
InchiInChI=1S/C20H30O3/c1-13-6-9-16-19(2,3)10-5-11-20(16,4)15(13)8-7-14-12-17(21)23-18(14)22/h12,15-17,21H,1,5-11H2,2-4H3/t15-,16-,17?,20+/m0/s1
Inchi KeyRNPDONJEBKWTIQ-SEVYOHKTSA-N
Molecular SpeciesNEUTRAL
Targets6.0
Bioactivities11.0
Np Likeness Score3.62
Records Key['4', '9']
Records Name['coronarin C', '15-hydroxylabda-8(17),13-dien-16,15-olide']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure